4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine

C16H22N4 — CID 62003302

IUPAC4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine
SMILESCCc1ccc(N(C)c2nnc(C)c(C)c2CN)cc1
InChIInChI=1S/C16H22N4/c1-5-13-6-8-14(9-7-13)20(4)16-15(10-17)11(2)12(3)18-19-16/h6-9H,5,10,17H2,1-4H3
InChIKeyPALDVPCNMCUKOP-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.88
Rot. Bonds4

About 4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine

4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine (PubChem CID 62003302) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine
PubChem CID62003302
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine
SMILESCCc1ccc(N(C)c2nnc(C)c(C)c2CN)cc1
InChIInChI=1S/C16H22N4/c1-5-13-6-8-14(9-7-13)20(4)16-15(10-17)11(2)12(3)18-19-16/h6-9H,5,10,17H2,1-4H3
InChIKeyPALDVPCNMCUKOP-UHFFFAOYSA-N
XLogP2.88
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
CID 61098823
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61419921
4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80817498
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
4-(aminomethyl)-N-benzyl-5,6-dimethyl-N-propylpyridazin-3-amine
CID 61096421
4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 61447677
5-(aminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62769107
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61420063
[3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663637
4-(aminomethyl)-N,5,6-trimethyl-N-(3-methylbutan-2-yl)pyridazin-3-amine
CID 61098218
4-N-(4-ethylphenyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80817574
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine (CID 62003302) is 4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine is CCc1ccc(N(C)c2nnc(C)c(C)c2CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine?
The InChIKey is PALDVPCNMCUKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-13-6-8-14(9-7-13)20(4)16-15(10-17)11(2)12(3)18-19-16/h6-9H,5,10,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine?
4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-ethylphenyl)-N,5,6-trimethylpyridazin-3-amine is sourced from PubChem (CID 62003302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).